ergo
|
#include <stdio.h>
#include <unistd.h>
#include <memory>
#include <limits>
#include <vector>
#include "integrals_2el_explicit.h"
#include "matInclude.h"
Functions | |
int | try_integral_diffs (const IntegralInfo &integralInfo, ergo_real h) |
int | main (int argc, char *argv[]) |
Tests the explicit computation of 2-electron integrals by moving basis functions by small distances and verifying that the computed 2-el integrals vary smoothly.
int main | ( | int | argc, |
char * | argv[] | ||
) |
References IntegralInfo::init(), and try_integral_diffs().
int try_integral_diffs | ( | const IntegralInfo & | integralInfo, |
ergo_real | h | ||
) |